CID 119098587

958255-17-9

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

CN(CCCO)C(=O)OC

InChI

InChI=1S/C6H13NO3/c1-7(4-3-5-8)6(9)10-2/h8H,3-5H2,1-2H3

InChIKey

ZOZILPSQKJNDDE-UHFFFAOYSA-N

Compound name

methyl N-(3-hydroxypropyl)-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 147.08954 Da
Monoisotopic Mass: -0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	148.09682	131.5
[M+Na]+	170.07876	137.8
[M-H]-	146.08226	132.0
[M+NH4]+	165.12336	152.7
[M+K]+	186.05270	139.3
[M+H-H2O]+	130.08680	126.4
[M+HCOO]-	192.08774	155.3
[M+CH3COO]-	206.10339	177.4
[M+Na-2H]-	168.06421	136.3
[M]+	147.08899	134.2
[M]-	147.09009	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe